2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide

C14H10F6N2OS — CID 7163678

IUPAC2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C14H10F6N2OS/c15-13(16,17)9-3-1-8(2-4-9)11-22-10(7-24-11)5-6-21-12(23)14(18,19)20/h1-4,7H,5-6H2,(H,21,23)
InChIKeyVBXGHLAOWBZZSU-UHFFFAOYSA-N
MW368.30 g/mol
LogP4.05
Rot. Bonds4

About 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide

2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (PubChem CID 7163678) has the molecular formula C14H10F6N2OS and a molecular weight of 368.30 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
PubChem CID7163678
Molecular FormulaC14H10F6N2OS
Molecular Weight368.30 g/mol
Exact Mass368.04
IUPAC Name2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
SMILESO=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F
InChIInChI=1S/C14H10F6N2OS/c15-13(16,17)9-3-1-8(2-4-9)11-22-10(7-24-11)5-6-21-12(23)14(18,19)20/h1-4,7H,5-6H2,(H,21,23)
InChIKeyVBXGHLAOWBZZSU-UHFFFAOYSA-N
XLogP4.05
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.30
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 7518387
ethyl 2-oxo-2-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethylamino]acetate
CID 7163682
2-(3-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide
CID 7287530
N'-(5-chloro-2-methylphenyl)-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]oxamide
CID 26843117
N-propyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152160
N-methyl-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 18152275
2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethanamine;hydrochloride
CID 156593509
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3-(trifluoromethyl)benzamide
CID 7518338
3-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]propan-1-amine
CID 69235596
4-butyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole
CID 141123760
N-[2-(3-chlorophenyl)ethyl]-2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]acetamide
CID 55515765
4-methyl-N-[2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethyl]benzamide
CID 7287432

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide (CID 7163678) is 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is O=C(NCCc1csc(-c2ccc(C(F)(F)F)cc2)n1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
The InChIKey is VBXGHLAOWBZZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F6N2OS/c15-13(16,17)9-3-1-8(2-4-9)11-22-10(7-24-11)5-6-21-12(23)14(18,19)20/h1-4,7H,5-6H2,(H,21,23).
What are the key properties of 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide?
2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide has a molecular weight of 368.30 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]ethyl]acetamide is sourced from PubChem (CID 7163678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).